4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine

C20H24FNOS — CID 10472760

IUPAC4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine
SMILESFc1ccc(SCc2ccccc2CCCN2CCOCC2)cc1
InChIInChI=1S/C20H24FNOS/c21-19-7-9-20(10-8-19)24-16-18-5-2-1-4-17(18)6-3-11-22-12-14-23-15-13-22/h1-2,4-5,7-10H,3,6,11-16H2
InChIKeyQHSCMOSDGULGDZ-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.38
Rot. Bonds7

About 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine

4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine (PubChem CID 10472760) has the molecular formula C20H24FNOS and a molecular weight of 345.48 g/mol. Its IUPAC name is 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine
PubChem CID10472760
Molecular FormulaC20H24FNOS
Molecular Weight345.48 g/mol
Exact Mass345.16
IUPAC Name4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine
SMILESFc1ccc(SCc2ccccc2CCCN2CCOCC2)cc1
InChIInChI=1S/C20H24FNOS/c21-19-7-9-20(10-8-19)24-16-18-5-2-1-4-17(18)6-3-11-22-12-14-23-15-13-22/h1-2,4-5,7-10H,3,6,11-16H2
InChIKeyQHSCMOSDGULGDZ-UHFFFAOYSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine (CID 10472760) is 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine is Fc1ccc(SCc2ccccc2CCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine?
The InChIKey is QHSCMOSDGULGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNOS/c21-19-7-9-20(10-8-19)24-16-18-5-2-1-4-17(18)6-3-11-22-12-14-23-15-13-22/h1-2,4-5,7-10H,3,6,11-16H2.
What are the key properties of 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine?
4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine has a molecular weight of 345.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]propyl]morpholine is sourced from PubChem (CID 10472760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).